repo.or.cz
/
gromacs.git
/
search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
log
|
graphiclog1
|
graphiclog2
|
commit
|
commitdiff
|
tree
|
refs
|
edit
|
fork
first
·
prev
·
next
Merge "Merge branch release-4-6 into release-5-0" into release-5-0
2014-09-01
Mark A
b
raham
Merge "
M
erge branch release-4-6 in
t
o release-5-0" in
t
o
.
.
.
commit
|
commitdiff
|
tree
2014-09-01
Mark Abraham
Fixes and updates
to BlueGene/Q
s
upport
commit
|
commitdiff
|
tree
2014-09-01
Mark Abraham
Merge
b
ran
c
h
release-4-6 into release-5-0
commit
|
commitdiff
|
tree
2014-09-01
Ma
r
k Abr
a
ham
M
erge "Merge
branch r
e
l
ease-4-6 into release-5-0" into
.
.
.
commit
|
commitdiff
|
tree
2014-08-29
Mark Abraham
Version bump after 4
.
6
.
7
commit
|
commitdiff
|
tree
2014-08-29
M
ark A
b
r
a
ham
Merge branc
h
r
e
lea
s
e-4-6 into release-5-0
commit
|
commitdiff
|
tree
2014-08-23
Ma
r
k Abr
a
ham
Generalize markdo
w
n co
n
figuration machi
n
ery
commit
|
commitdiff
|
tree
2014-08-23
Ma
r
k Abraha
m
Unify documen
t
ation for webpage build
commit
|
commitdiff
|
tree
2014-08-22
Mark Abraham
F
ix
z
lib usage wit
h
T
NG
commit
|
commitdiff
|
tree
2014-08-16
Mark Abr
a
ham
Fi
x
gmx tu
n
e
_
pme with
LJ-PME
commit
|
commitdiff
|
tree
2014-08-16
M
a
r
k
Abraham
F
i
x
wa
l
lcycle counti
n
g
w
ith md-vv, sd and
s
d2
commit
|
commitdiff
|
tree
2014-07-09
Mark Abr
a
ham
Name
the tarball
how w
e
lik
e
it
commit
|
commitdiff
|
tree
2014-07-09
Mark Abraha
m
Quieten repeated cmake runs
commit
|
commitdiff
|
tree
2014-07-07
Mark Abraham
Fix tarball and install, particularl
y
f
o
r
INST
A
L
L
commit
|
commitdiff
|
tree
2014-07-07
M
a
rk Abraha
m
V
e
rsion bu
m
p after 4
.
6
.
6
r
el
e
ase
commit
|
commitdiff
|
tree
2014-07-01
M
a
rk Abraham
Fix GMock
to wor
k
on MSVC
commit
|
commitdiff
|
tree
2014-06-29
Mark Abraham
V
ersion
b
u
m
p for 5
.
0
commit
|
commitdiff
|
tree
2014-06-29
Mark A
b
rah
a
m
Add fo
r
got
t
en licenses to
C
OP
Y
ING
commit
|
commitdiff
|
tree
2014-06-29
Mark
A
brah
a
m
Refer
to "mixe
d
"
prec
i
sio
n
in user-fac
i
n
g documentatio
n
commit
|
commitdiff
|
tree
2014-06-29
Mark Abraham
C
on
v
er
t
insta
l
l guide to markd
o
wn
commit
|
commitdiff
|
tree
2014-06-29
Mark Abraham
Merge
"
Merge release-4-6 into
r
elease-5-0"
into
release-
5
-0
commit
|
commitdiff
|
tree
2014-06-28
Mark Ab
r
ah
a
m
Merge
branch 'release-4-6' into r
e
lease-5-0
commit
|
commitdiff
|
tree
2014-06-28
Mark Abraham
Use parallel term
i
nolog
y
more con
s
is
t
ently
commit
|
commitdiff
|
tree
2014-06-26
M
ark Abraham
Mer
g
e "M
e
r
ge r
e
l
e
ase-4-6 into release-5
-
0" into release-5-0
commit
|
commitdiff
|
tree
2014-06-24
Mark Abraham
Manual fixes
commit
|
commitdiff
|
tree
2014-06-18
Mark A
b
raham
Made mdrun warn when generi
c
k
e
r
n
els are used
commit
|
commitdiff
|
tree
2014-06-06
Mark Abra
h
am
Merge r
e
lease-4-6 into release-5-0
commit
|
commitdiff
|
tree
2014-06-05
Mark Abraham
N
ew quote
s
commit
|
commitdiff
|
tree
2014-06-03
M
ark
Ab
r
a
h
am
Use R
N
G
c
orrect
l
y for v-
r
esc
a
le thermo
s
tat
commit
|
commitdiff
|
tree
2014-05-30
Mark A
b
raham
Fina
l
ize chan
g
e f
r
om
G
MX_CPU_ACCELERATION
to GMX_SIMD
commit
|
commitdiff
|
tree
2014-05-22
Mark Ab
r
aham
Add fatal err
o
r
s
for VV and twin-range MTS
commit
|
commitdiff
|
tree
2014-05-22
M
ark A
b
raham
Clarified docs fo
r
u
s
e of mdr
u
n -nstlis
t
commit
|
commitdiff
|
tree
2014-05-20
Mark Abrah
a
m
F
i
x copyr
i
ght
years for new
code
commit
|
commitdiff
|
tree
2014-05-20
Mar
k
A
b
raham
Add
n
ote
about correct calling of wallcy
c
le counter
commit
|
commitdiff
|
tree
2014-05-18
M
a
rk Abraha
m
Fix inden
t
ing
o
f
.
t
p
r
pa
r
ameter dump in mdrun log file
commit
|
commitdiff
|
tree
2014-05-13
M
a
rk Abraham
Prohibit AVX_256 with
bu
g
gy gc
c
4
.
6
.
1
commit
|
commitdiff
|
tree
2014-04-29
M
a
rk Abraham
Merge branch re
l
ease-4-6 i
n
to rel
e
ase-5-0
commit
|
commitdiff
|
tree
2014-04-16
Mark A
b
r
a
ham
Fix and si
m
plify
versi
o
n matching f
o
r run
n
i
n
g tests
commit
|
commitdiff
|
tree
2014-04-10
M
ark Abraham
Mer
g
e branch
'
release-4
-
6' into release-5-0
commit
|
commitdiff
|
tree
2014-04-10
Mark Abraha
m
F
u
r
ther fix to gmx tune-pme
commit
|
commitdiff
|
tree
2014-04-07
Mark Abraham
Fix inva
l
id dere
f
erence in
g_
t
u
ne_p
m
e
commit
|
commitdiff
|
tree
2014-04-07
Mark Abraham
Version bump fo
r
5
.
0-rc
1
commit
|
commitdiff
|
tree
2014-04-03
Mark Abraham
Move string-parsing code to wher
e
it can be
r
eused
commit
|
commitdiff
|
tree
2014-04-02
Mark Abraham
F
i
xes for g_t
u
ne_pme for 5
.
0
commit
|
commitdiff
|
tree
2014-04-02
Mark
Abraham
F
i
x
bug
a
ccumulatin
g
nr
a
nk_pp_intranode on
PME ranks
commit
|
commitdiff
|
tree
2014-04-02
Mark
A
b
raham
Re-use gmx_greatest_c
o
mmon
_
divisor()
commit
|
commitdiff
|
tree
2014-03-31
Mark A
b
raha
m
R
e
move
q
uote
commit
|
commitdiff
|
tree
2014-03-26
Ma
r
k
Abr
a
ham
Fix
u
se of inl
i
ne i
n
IM
D
commit
|
commitdiff
|
tree
2014-03-23
Mark Abr
a
h
am
Keep CMake quiet about non-detection of
o
ptional s
t
uff
commit
|
commitdiff
|
tree
2014-03-23
Mark Abr
a
ham
Merge br
a
nch release
-
4-6
commit
|
commitdiff
|
tree
2014-03-23
Mark Abr
a
ham
Fix
p
rint_
d
ate_
a
nd_time
commit
|
commitdiff
|
tree
2014-03-18
M
ark Abraha
m
Rever
t
"
Added new amber99sb-ildn-bsc0 for
c
e field
.
"
commit
|
commitdiff
|
tree
2014-03-18
Ma
r
k Abraham
R
emoved mo
r
e stuff related to g
m
x
.
ff an
d
gmx2
.
ff
commit
|
commitdiff
|
tree
2014-03-17
Mark Abraham
House-keeping
f
or MTTK
commit
|
commitdiff
|
tree
2014-03-17
Mark
Abraham
Mer
g
e "M
e
rge
branch
r
eleas
e
-4-6"
commit
|
commitdiff
|
tree
2014-03-17
Mark
A
braham
Merge branch rele
a
se-4-6
commit
|
commitdiff
|
tree
2014-03-17
M
ark
Abra
h
am
Fix perturbation t
o
Verlet sch
e
me
when not perturbing
commit
|
commitdiff
|
tree
2014-03-11
M
ark Abraham
Fix MKL linking
commit
|
commitdiff
|
tree
2014-03-11
Ma
r
k Abraham
Avoid a
r
r
ay
-
bounds warnings with gcc 4
.
8
.
2
commit
|
commitdiff
|
tree
2014-03-10
Mark Abraha
m
Fix depen
d
ency on swapcoords enums
commit
|
commitdiff
|
tree
2014-03-06
Mark A
b
raham
Fix
forma
t
t
i
ng in inst
a
ll guide
commit
|
commitdiff
|
tree
2014-03-06
Mark
Abraham
Fix
CMake syntax
e
r
ro
r
commit
|
commitdiff
|
tree
2014-03-05
Mark Abraham
Merge "Merge release-4-6 int
o
master"
commit
|
commitdiff
|
tree
2014-03-04
Mark Abraham
Add enum and docs f
o
r
u
s
ing tpx_version
commit
|
commitdiff
|
tree
2014-03-03
Mark Abraham
F
ix
c
alling
SIM
D
group kerne
l
s
commit
|
commitdiff
|
tree
2014-03-01
Mark Abrah
a
m
A
dd fatal error for Andersen+
c
onstraints+DD
commit
|
commitdiff
|
tree
2014-02-26
Mark A
b
r
aham
Add ThreadSan
i
tizer build type
commit
|
commitdiff
|
tree
2014-02-25
Mark Abraham
Keep compilers happy on BG/Q
commit
|
commitdiff
|
tree
2014-02-24
M
a
r
k Abraham
Clean up options for domain decomposition
commit
|
commitdiff
|
tree
2014-02-24
M
ark Abraham
Permit warning
-
free use of A
n
dersen thermostat
commit
|
commitdiff
|
tree
2014-02-24
Mark Abraham
S
u
ppress
i
cc
warning f
o
r
Boost 1
.
5
5
use of #pragma
.
.
.
commit
|
commitdiff
|
tree
2014-02-21
Mark Abraham
Reins
t
ate shell code wit
h
DD
commit
|
commitdiff
|
tree
2014-02-20
M
ark Ab
r
a
ham
R
e
move par
t
i
cle decomposit
i
on
commit
|
commitdiff
|
tree
2014-02-20
Mark Abraham
avoid mdrun cras
h
when
r
dtscp is not
suppor
t
ed
commit
|
commitdiff
|
tree
2014-02-20
M
a
rk Abraham
Add in
t
egration t
e
sts for r
e
p
l
ica exchange
commit
|
commitdiff
|
tree
2014-02-19
Mark
Abraham
Make some varia
b
le names less cryptic
commit
|
commitdiff
|
tree
2014-02-18
Mark A
b
raham
Fix outstandin
g
re
f
er
e
nces to "CP
U
acceleration"
commit
|
commitdiff
|
tree
2014-02-18
Mark Abraham
Fix harmless bug
w
i
th co
m
bina
t
ion of group
a
nd twi
n
.
.
.
commit
|
commitdiff
|
tree
2014-02-18
Mar
k
Abraha
m
Exten
d
TestFileManager
commit
|
commitdiff
|
tree
2014-02-16
Mark Abraham
Fix test refe
r
ence
d
ata accidental
l
y
b
r
o
k
e
n
commit
|
commitdiff
|
tree
2014-02-16
Mark Abraham
Remov
e
s
u
p
port
f
o
r
.
g87 and
.
xyz
I
/O formats
commit
|
commitdiff
|
tree
2014-02-12
M
ark Abrah
a
m
Refactored 'solvate'
and 'ins
e
rt-molecu
l
es'
commit
|
commitdiff
|
tree
2014-02-12
Mark
A
brah
a
m
R
e
-fix compiler warnings with scanne
r
.
cpp
commit
|
commitdiff
|
tree
2014-02-11
Mar
k
A
braham
Split genbox into 's
o
lvate
'
a
n
d 'insert-mo
l
e
cules'
commit
|
commitdiff
|
tree
2014-02-11
Mark Abraham
Upd
a
te stuff for old BlueGene
commit
|
commitdiff
|
tree
2014-02-09
Mark Abraham
M
ove orien
t
ation restraints
checks inside init fu
n
ction
commit
|
commitdiff
|
tree
2014-02-08
Mark Abraham
Cle
a
n up
.
log file dump of in
p
utrec
commit
|
commitdiff
|
tree
2014-02-08
M
ark Abraham
Issue fatal
e
rr
o
rs rath
e
r t
h
an use broken shell
code
commit
|
commitdiff
|
tree
2014-02-07
Mark Ab
r
aham
Initi
a
lize inputrec b
e
tter in
genb
o
x
commit
|
commitdiff
|
tree
2014-02-06
Mark Abrah
a
m
Remove
a
ntiquate
d
a
nd u
n
used gmxpar
.
tex document
a
tio
n
commit
|
commitdiff
|
tree
2014-02-05
Mark Abrah
a
m
Update description of genrestr
commit
|
commitdiff
|
tree
2014-02-04
Mark Abraham
Use feat
u
re to expl
a
i
n that
tpbconv ha
s
moved
commit
|
commitdiff
|
tree
2014-02-03
Mark Abraham
Add
h
ack to fix genb
o
x
commit
|
commitdiff
|
tree
2014-02-03
Mark Abraha
m
Cle
a
n up genbox and associated code
commit
|
commitdiff
|
tree
2014-02-03
M
ar
k
Abraham
Improved
w
a
l
lcycle
r
eporti
n
g
commit
|
commitdiff
|
tree
2014-01-30
Mark
Abraham
Minor
improve
m
ents to ewald_LRcorrection
commit
|
commitdiff
|
tree
2014-01-29
Mark
A
bra
h
a
m
Improve
d
dep
e
ndencies
on maths include
s
commit
|
commitdiff
|
tree
2014-01-29
M
a
rk Abraham
Keep cla
n
g Addres
s
Saniti
z
er happy
commit
|
commitdiff
|
tree
2014-01-28
Mark Abraham
Merge branch '
r
elease-4-6'
commit
|
commitdiff
|
tree
2014-01-28
M
a
rk Abraham
Remove
"g
m
x tr
j
conv -a
p
p"
commit
|
commitdiff
|
tree
next